N-(5-methylpyrazin-2-yl)-2-(4-methylsulfonylimidazol-1-yl)propanamide

C12H15N5O3S — CID 67134290

IUPACN-(5-methylpyrazin-2-yl)-2-(4-methylsulfonylimidazol-1-yl)propanamide
SMILESCc1cnc(NC(=O)C(C)n2cnc(S(C)(=O)=O)c2)cn1
InChIInChI=1S/C12H15N5O3S/c1-8-4-14-10(5-13-8)16-12(18)9(2)17-6-11(15-7-17)21(3,19)20/h4-7,9H,1-3H3,(H,14,16,18)
InChIKeyZJXKSXRBEGLBIA-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.58
Rot. Bonds4

About N-(5-methylpyrazin-2-yl)-2-(4-methylsulfonylimidazol-1-yl)propanamide

N-(5-methylpyrazin-2-yl)-2-(4-methylsulfonylimidazol-1-yl)propanamide (PubChem CID 67134290) has the molecular formula C12H15N5O3S and a molecular weight of 309.35 g/mol. Its IUPAC name is N-(5-methylpyrazin-2-yl)-2-(4-methylsulfonylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-methylpyrazin-2-yl)-2-(4-methylsulfonylimidazol-1-yl)propanamide
PubChem CID67134290
Molecular FormulaC12H15N5O3S
Molecular Weight309.35 g/mol
Exact Mass309.09
IUPAC NameN-(5-methylpyrazin-2-yl)-2-(4-methylsulfonylimidazol-1-yl)propanamide
SMILESCc1cnc(NC(=O)C(C)n2cnc(S(C)(=O)=O)c2)cn1
InChIInChI=1S/C12H15N5O3S/c1-8-4-14-10(5-13-8)16-12(18)9(2)17-6-11(15-7-17)21(3,19)20/h4-7,9H,1-3H3,(H,14,16,18)
InChIKeyZJXKSXRBEGLBIA-UHFFFAOYSA-N
XLogP0.58
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylpyrazin-2-yl)-2-(4-methylsulfonylimidazol-1-yl)propanamide?
The IUPAC name of N-(5-methylpyrazin-2-yl)-2-(4-methylsulfonylimidazol-1-yl)propanamide (CID 67134290) is N-(5-methylpyrazin-2-yl)-2-(4-methylsulfonylimidazol-1-yl)propanamide.
What is the SMILES notation for N-(5-methylpyrazin-2-yl)-2-(4-methylsulfonylimidazol-1-yl)propanamide?
The canonical SMILES for N-(5-methylpyrazin-2-yl)-2-(4-methylsulfonylimidazol-1-yl)propanamide is Cc1cnc(NC(=O)C(C)n2cnc(S(C)(=O)=O)c2)cn1.
What is the InChIKey of N-(5-methylpyrazin-2-yl)-2-(4-methylsulfonylimidazol-1-yl)propanamide?
The InChIKey is ZJXKSXRBEGLBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3S/c1-8-4-14-10(5-13-8)16-12(18)9(2)17-6-11(15-7-17)21(3,19)20/h4-7,9H,1-3H3,(H,14,16,18).
What are the key properties of N-(5-methylpyrazin-2-yl)-2-(4-methylsulfonylimidazol-1-yl)propanamide?
N-(5-methylpyrazin-2-yl)-2-(4-methylsulfonylimidazol-1-yl)propanamide has a molecular weight of 309.35 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylpyrazin-2-yl)-2-(4-methylsulfonylimidazol-1-yl)propanamide is sourced from PubChem (CID 67134290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).